3'-methylidene-1-[5-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)pentyl]spiro[indole-3,5'-oxolane]-2,2'-dione

C29H26N2O6 — CID 146201217

IUPAC3'-methylidene-1-[5-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)pentyl]spiro[indole-3,5'-oxolane]-2,2'-dione
SMILESC=C1CC2(OC1=O)C(=O)N(CCCCCN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12
InChIInChI=1S/C29H26N2O6/c1-18-16-28(36-24(18)32)20-10-4-6-12-22(20)30(26(28)34)14-8-3-9-15-31-23-13-7-5-11-21(23)29(27(31)35)17-19(2)25(33)37-29/h4-7,10-13H,1-3,8-9,14-17H2
InChIKeyWYFPDGPLUWKUEP-UHFFFAOYSA-N
MW498.54 g/mol
LogP3.65
Rot. Bonds6

About 3'-methylidene-1-[5-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)pentyl]spiro[indole-3,5'-oxolane]-2,2'-dione

3'-methylidene-1-[5-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)pentyl]spiro[indole-3,5'-oxolane]-2,2'-dione (PubChem CID 146201217) has the molecular formula C29H26N2O6 and a molecular weight of 498.54 g/mol. Its IUPAC name is 3'-methylidene-1-[5-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)pentyl]spiro[indole-3,5'-oxolane]-2,2'-dione.

Molecular Properties

Compound Name3'-methylidene-1-[5-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)pentyl]spiro[indole-3,5'-oxolane]-2,2'-dione
PubChem CID146201217
Molecular FormulaC29H26N2O6
Molecular Weight498.54 g/mol
Exact Mass498.18
IUPAC Name3'-methylidene-1-[5-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)pentyl]spiro[indole-3,5'-oxolane]-2,2'-dione
SMILESC=C1CC2(OC1=O)C(=O)N(CCCCCN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12
InChIInChI=1S/C29H26N2O6/c1-18-16-28(36-24(18)32)20-10-4-6-12-22(20)30(26(28)34)14-8-3-9-15-31-23-13-7-5-11-21(23)29(27(31)35)17-19(2)25(33)37-29/h4-7,10-13H,1-3,8-9,14-17H2
InChIKeyWYFPDGPLUWKUEP-UHFFFAOYSA-N
XLogP3.65
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3'-methylidene-1-[5-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)pentyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The IUPAC name of 3'-methylidene-1-[5-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)pentyl]spiro[indole-3,5'-oxolane]-2,2'-dione (CID 146201217) is 3'-methylidene-1-[5-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)pentyl]spiro[indole-3,5'-oxolane]-2,2'-dione.
What is the SMILES notation for 3'-methylidene-1-[5-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)pentyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The canonical SMILES for 3'-methylidene-1-[5-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)pentyl]spiro[indole-3,5'-oxolane]-2,2'-dione is C=C1CC2(OC1=O)C(=O)N(CCCCCN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12.
What is the InChIKey of 3'-methylidene-1-[5-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)pentyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
The InChIKey is WYFPDGPLUWKUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O6/c1-18-16-28(36-24(18)32)20-10-4-6-12-22(20)30(26(28)34)14-8-3-9-15-31-23-13-7-5-11-21(23)29(27(31)35)17-19(2)25(33)37-29/h4-7,10-13H,1-3,8-9,14-17H2.
What are the key properties of 3'-methylidene-1-[5-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)pentyl]spiro[indole-3,5'-oxolane]-2,2'-dione?
3'-methylidene-1-[5-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)pentyl]spiro[indole-3,5'-oxolane]-2,2'-dione has a molecular weight of 498.54 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methylidene-1-[5-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)pentyl]spiro[indole-3,5'-oxolane]-2,2'-dione is sourced from PubChem (CID 146201217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).